sodium;hydride;N-prop-2-enylprop-2-en-1-amine

C6H12NNa — CID 173095987

IUPACsodium;hydride;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.[H-].[Na+]
InChIInChI=1S/C6H11N.Na.H/c1-3-5-7-6-4-2;;/h3-4,7H,1-2,5-6H2;;/q;+1;-1
InChIKeyNRKYFBVHRNPAQP-UHFFFAOYSA-N
MW121.16 g/mol
LogP-1.94
Rot. Bonds4

About sodium;hydride;N-prop-2-enylprop-2-en-1-amine

sodium;hydride;N-prop-2-enylprop-2-en-1-amine (PubChem CID 173095987) has the molecular formula C6H12NNa and a molecular weight of 121.16 g/mol. Its IUPAC name is sodium;hydride;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Namesodium;hydride;N-prop-2-enylprop-2-en-1-amine
PubChem CID173095987
Molecular FormulaC6H12NNa
Molecular Weight121.16 g/mol
Exact Mass121.09
IUPAC Namesodium;hydride;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.[H-].[Na+]
InChIInChI=1S/C6H11N.Na.H/c1-3-5-7-6-4-2;;/h3-4,7H,1-2,5-6H2;;/q;+1;-1
InChIKeyNRKYFBVHRNPAQP-UHFFFAOYSA-N
XLogP-1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-1.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
N-prop-2-enylprop-2-en-1-amine;hydrofluoride
CID 86146928
sodium;N-ethylprop-2-en-1-amine;hydride
CID 173234565
oxirane;N-prop-2-enylprop-2-en-1-amine
CID 174833487
N-prop-2-enylpenta-2,4-dien-1-amine
CID 54219064
N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 87793604
N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium
CID 174867425
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
hepta-1,6-diene;methane;penta-1,4-diene;N-prop-2-enylprop-2-en-1-amine
CID 161132633
phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)
CID 173019567
3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride
CID 173396788
(Z)-3-chloro-N-prop-2-enylbut-2-en-1-amine;hydrochloride
CID 75531542

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of sodium;hydride;N-prop-2-enylprop-2-en-1-amine (CID 173095987) is sodium;hydride;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for sodium;hydride;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for sodium;hydride;N-prop-2-enylprop-2-en-1-amine is C=CCNCC=C.[H-].[Na+].
What is the InChIKey of sodium;hydride;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is NRKYFBVHRNPAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.Na.H/c1-3-5-7-6-4-2;;/h3-4,7H,1-2,5-6H2;;/q;+1;-1.
What are the key properties of sodium;hydride;N-prop-2-enylprop-2-en-1-amine?
sodium;hydride;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 121.16 g/mol, XLogP of -1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 173095987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).